Benzyl L-alaninate hydrochloride → Benzyl 2-[[2-(acetylsulfanylmethyl)-3-(4-hydroxyphenyl)butanoyl]amino]propanoate

HRID 1552964Notes

Reaction equation

HRID 1552964 reaction equation
[C:1]([CH3:2])(=[O:3])[S:4][CH2:5][CH:6]([C:7](=[O:8])[OH:9])[CH:10]([CH3:11])[c:12]1[cH:13][cH:14][c:15]([OH:18])[cH:16][cH:17]1.[CH2:19]([c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)[O:26][C:27]([CH:28]([NH2:29])[CH3:30])=[O:31]>>[C:1]([CH3:2])(=[O:3])[S:4][CH2:5][CH:6]([C:7](=[O:9])[NH:29][CH:28]([C:27]([O:26][CH2:19][c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)=[O:31])[CH3:30])[CH:10]([CH3:11])[c:12]1[cH:13][cH:14][c:15]([OH:18])[cH:16][cH:17]1

Participants

3

Reactant 2

HCID 437645Benzyl L-alaninate hydrochlorideHCID 189807882-Acetylthiomethyl-3-(4-hydroxyphenyl)butanoic acid

Product 1

HCID 18980780Benzyl 2-[[2-(acetylsulfanylmethyl)-3-(4-hydroxyphenyl)butanoyl]amino]propanoate

Sources & evidence

ORD record
ord-3b9f69b662784df883993c230eff4e87
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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